SCHEMBL6422121

SCHEMBL6422121

COC(=O)C1=CCC(=Nc2ccccc2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNN4 O15554 1/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 1/20 0.33
CFTR P13569 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2225346 0.78 CHRM3 (0.32) MAPTTSHRLMNASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL10854710 0.72
SCHEMBL48012 0.69 LMNA (0.37) L3MBTL1TSHRALDH1A1LMNACA1
SCHEMBL7035636 0.67 LMNA (0.36) L3MBTL1TSHRALDH1A1LMNACA1
SCHEMBL8417905 0.67 TSHR (0.35) MAPTL3MBTL1TSHRLMNACA1
SCHEMBL28926409 0.67 CHRM3 (0.33) L3MBTL1TSHRLMNACA1CA2
SCHEMBL6813512 0.64 CHRM3 (0.31) MAPTALDH1A1LMNACFTRHSD17B10
SCHEMBL23050146 0.63 TSHR (0.41) TSHRALDH1A1LMNASMN1; SMN2HSD17B10
Dimethyl Phthalate SCHEMBL28528385 0.62 MAPT (0.70) HPGDMAPTRAB9AL3MBTL1CASP3
Azobenzene SCHEMBL28437893 0.62 RAB9A (0.89) HPGDMAPTRAB9AL3MBTL1CASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016255-A2 SUBSTITUTED TETRAHYDROQUINOLINES, PHENYLACETIC ACIDS AND BENZOIC ACIDS AS HEPATOCYTE NUCLEAR FACTOR 4 (HNF-4 ) MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed